Chemical ID: 5928857

Cc1cc(n2c(c1)nc(c2NC(C)(C)CC(C)(C)C)c3ccccn3)C
Chemical ID:
5928857
Name [?]:
2,4-dimethyl-8-(2-pyridyl)-N-(1,1,3,3-tetramethylbutyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1cc(n2c(c1)nc(c2NC(C)(C)CC(C)(C)C)c3ccccn3)C
InChi [?]:
InChI=1/C22H30N4/c1-15-12-16(2)26-18(13-15)24-19(17-10-8-9-11-23-17)20(26)25-22(6,7)14-21(3,4)5/h8-13,25H,14H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,26,17,18,19,13,14,22,23,21,24,3,7,15,2,4,20,6,9,10,16,12,25,8,11,5/E:(3,4,5)(6,7)/rA:26nCCCCNCCNCCNCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s12;s12;s15;s16;s16;s16;s9;s20;d21;s22;d23;d20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.84
Area:502.867
Solvation:-1.73166
Coulombic:-30.5906
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.501
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.85
LogP (Chemaxon):4.97

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Descriptor Annotations

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